Synthesis, crystal, molecular and electronic structure of the [Re(NO)Cl2 (PPh3)(PPh2py-P,N)] complex

被引：20

作者：

Machura, B.

Kruszynski, R.

机构：

[1] Silesian Univ, Inst Chem, Dept Inorgan & Radiat Chem, PL-40006 Katowice, Poland

[2] Tech Univ Lodz, Inst Gen & Ecol Chem, Xray Crystallog Lab, PL-90924 Lodz, Poland

来源：

POLYHEDRON | 2006年 / 25卷 / 09期

关键词：

rhenium nitrosyl complexes; phosphine ligands; X-ray structure; DFT calculations;

D O I：

10.1016/j.poly.2005.12.014

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The reaction of the [ReCl3(NO)(PPh3)(OPPh3) complex with diphenyl(2-pyridyl)phosphine (PPh(2)py) has been examined and a novel {ReNO}(6) rhenium nitrosyl - [Re(NO)Cl-2(PPh3)(PPh(2)py-P,N)] has been obtained. The compound has been studied by IR, UV-Vis spectroscopy and X-ray crystallography. The molecular orbital diagram of [Re(NO)Cl-2(PPh3)(PPh(2)py-P,N)] has been calculated with the density functional theory (DFT) method. The spin-allowed singlet-singlet electronic transitions of [Re(NO)Cl-2(PPh3)(PPh(2)py-P,N)] have been calculated with the time-dependent DFT method, and the UV-Vis spectrum of the title compound has been discussed on this basis. (c) 2006 Elsevier Ltd. All rights reserved.

引用

页码：1985 / 1993

页数：9

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